Ionic surfactants are widely used in coal dust control in mines, and their adsorption characteristics on the coal surface have a great influence on the coal dust control effect. In this investigation, anionic sodium dodecylbenzenesulfonate (SDBS) and cationic octadecyltrimethylammonium chloride (STAC) were selected to explore the adsorption characteristics of ionic surfactants on the surface of anthracite. The experimental results show that the adsorption rate and efficiency of STAC on the surface of anthracite are higher than that of SDBS; STAC can form a denser surfactant layer on the surface of anthracite, with a larger adsorption capacity and higher strength. Molecular dynamics simulations show that the adsorption between STAC and the surface of anthracite is tighter, and the distribution at the coal–water interface is more uniform; the surface of anthracite modified by STAC has a stronger binding ability to water molecules.

Inhalable coal dust poses a serious threat to coal mining safety, air quality, and the health of miners. Therefore, the development of efficient dust suppressants is crucial for addressing this issue. This study evaluated the ability of three high-surface-active OPEO-type nonionic surfactants (OP4, OP9, and OP13) to improve the wetting properties of anthracite via extensive experiments and a molecular simulation and determined the micro-mechanism of different wetting properties. The surface tension results show that OP4 has the lowest surface tension (27.182 mN/m). Contact angle tests and wetting kinetics models suggest that OP4 exhibits the strongest wetting improvement ability on raw coal with the smallest contact angle (20.1°) and the fastest wetting rate. In addition, FTIR and XPS experimental results also reveal that OP4-treated coal surfaces introduce the most hydrophilic elements and groups. UV spectroscopy testing shows that OP4 has the highest adsorption capacity on the coal surface, reaching 133.45 mg/g. The surfactant is adsorbed on the surface and pores of anthracite, while the strong adsorption ability of OP4 results in the least amount of N₂ adsorption (8.408 cm³/g) but the largest specific surface area (1.673 m²/g). In addition, the filling behavior and aggregation behavior of surfactants on the anthracite coal surface were observed using SEM. The MD simulation results indicate that OPEO reagents with overly long hydrophilic chains would produce spatial effects on the coal surface. Under the influence of the π-π interaction between the hydrophobic benzene ring and the coal surface, OPEO reagents with fewer ethylene oxide quantities are more prone to adsorb onto the coal surface. Therefore, after the adsorption of OP4, both the polarity and the water molecule adhesion ability of the coal surface are greatly enhanced, which helps to suppress dust production. These results provide important references and a foundation for future designs of efficient compound dust suppressant systems.

In order to explore the effect of the attachment site of the benzene ring in the backbone of the surfactant on its diffusion characteristics on the surface of anthracite, the molecular dynamics simulation method was used, and the four isomers (m-C16, m = 2,4,6,8; m represents the attachment site of the benzene ring in the backbone) of sodium hexadecyl benzene sulfonate (SHS) were selected. Binary models of surfactant/anthracite, surfactant/graphene modified by oxygen-containing functional groups, and a ternary model of water/surfactant/anthracite were constructed. By analyzing a series of properties such as interaction energy, contact surface area, relative concentration distribution, radial distribution function, hydrophobic tail chain order parameter, etc., it is concluded that the adsorption strength of 4-C16 on the surface of anthracite is the highest; the reason is that 4-C16 has the highest degree of aggregation near the oxygen-containing functional groups on the surface of anthracite. Further investigations find that 4-C16 can be densely covered on the ketone group, and the longer branch chain of 4-C16 has the highest degree of order in the Z-axis direction.

Coal dust is a significant concern to the safety of coal mine operations. The wettability of coal can be effectively altered by adding surfactants to water. The development of high-efficiency dust suppressants is hampered by a lack of understanding of the microscopic interaction process between coal dust and surfactants. In this investigation, the influence of the branched structure of the polyoxyethylene unit in nonionic surfactants on the wettability of anthracite surfaces was evaluated by combining the modeling study and experimental research. The macromolecular model of Jincheng anthracite with 55 different components (C₇₇₃₀H₃₉₁₆O₁₃₃N₁₂₃S₂₅) was constructed. Lauryl polyoxyethylene ether C₁₂(EO)₂₀ and Tween 20 were selected. The simulation results showed that due to the branched structure of polyoxyethylene, the surface of anthracite after adsorption by Tween 20 is more hydrophilic. Further analysis found that the adsorption configuration of Tween 20 is that the hydrophilic head group covers the hydrophobic tail chain, while the adsorption configuration of C₁₂(EO)₂₀ is that the hydrophobic tail chain covers the hydrophilic head group. The network structure formed by Tween 20 is relatively loose, and the surface is rougher. The network structure formed by C₁₂(EO)₂₀ is denser. Water molecules have a higher aggregation degree near Tween 20 and stronger permeability, and more hydrogen bonds are formed. The existence state of carbon and oxygen elements on the surface of modified coal was analyzed by XPS experiment, which confirmed the adsorption structure obtained by molecular simulation.

In order to investigate the effect of deep burial metamorphism on the wettability of coal during deep burial metamorphism, a superficial coal sample (∼90 m) and a deep coal sample (∼490 m) collected from two main mining seams were selected to simulate the deep burial metamorphism process. The wettability of two coal samples during deep burial metamorphism was investigated by X-ray photoelectron spectroscopy (XPS), FTIR, zeta potential, and contact angle measurements. Besides, comprehensive DLVO interaction analyses between two coal samples from different mining depths were carried out through the zeta potentials measurements under different pH values. The XPS results demonstrate that the content of surface oxygen atom and oxygen-containing functional group for superficial coal tends to be higher than that of deep coal. The FTIR results indicate that the peak intensity of oxygen-containing functional groups for the superficial is higher than that of deep coal, implying the stronger surface hydrophobicity of deep coal compared to superficial coal. The contact angle of superficial coal is lower than that of deep coal. The zeta potential and DLVO theory analyses of superficial particles and deep coal particles indicate that deep burial metamorphism process might be favorable for bubble-particle collision and attachment, while might be unfavorable for the wetting process oppositely. Based on the surface chemistry characterization and theory analyses, this study is expected to give a theoretical insight into the efficient processing or dedusting process of coals experiencing different deep burial metamorphism processes in the future.